(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine

C14H25NO — CID 15514342

IUPAC(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine
SMILESCOC(C)(C)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(2,16-3)13-10-7-11-15(13)12-8-5-4-6-9-12/h8,13H,4-7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyRLWABAONLAJZFF-ZDUSSCGKSA-N
MW223.36 g/mol
LogP3.33
Rot. Bonds3

About (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine

(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine (PubChem CID 15514342) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine
PubChem CID15514342
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine
SMILESCOC(C)(C)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(2,16-3)13-10-7-11-15(13)12-8-5-4-6-9-12/h8,13H,4-7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyRLWABAONLAJZFF-ZDUSSCGKSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine?
The IUPAC name of (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine (CID 15514342) is (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine is COC(C)(C)[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine?
The InChIKey is RLWABAONLAJZFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2,16-3)13-10-7-11-15(13)12-8-5-4-6-9-12/h8,13H,4-7,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine?
(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine is sourced from PubChem (CID 15514342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).